methyl 2-(oxan-3-ylmethylamino)butanoate

C11H21NO3 — CID 115353202

IUPACmethyl 2-(oxan-3-ylmethylamino)butanoate
SMILESCCC(NCC1CCCOC1)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-3-10(11(13)14-2)12-7-9-5-4-6-15-8-9/h9-10,12H,3-8H2,1-2H3
InChIKeyNYTAWGKDADKVIO-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds5

About methyl 2-(oxan-3-ylmethylamino)butanoate

methyl 2-(oxan-3-ylmethylamino)butanoate (PubChem CID 115353202) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-(oxan-3-ylmethylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-(oxan-3-ylmethylamino)butanoate
PubChem CID115353202
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-(oxan-3-ylmethylamino)butanoate
SMILESCCC(NCC1CCCOC1)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-3-10(11(13)14-2)12-7-9-5-4-6-15-8-9/h9-10,12H,3-8H2,1-2H3
InChIKeyNYTAWGKDADKVIO-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate
CID 63739850
methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
methyl (2R)-2-(cyclopropylmethylamino)butanoate
CID 67121985
methyl 2-(oxolan-3-ylmethylamino)hexanoate
CID 103868431
2-(oxolan-3-ylmethylamino)butanoic acid
CID 64668954
methyl 2-bromo-3-(oxan-3-ylmethylamino)propanoate
CID 103242246
(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305
ethyl 2-(oxan-4-ylmethylamino)butanoate
CID 64670157
ethyl 2-(oxolan-3-ylmethylamino)pentanoate
CID 79041046
N-ethyl-N-methyl-2-(oxan-3-ylmethylamino)propanamide
CID 103106976
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-3-yl)propanoate
CID 169233574
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-3-ylmethylamino)butanoate?
The IUPAC name of methyl 2-(oxan-3-ylmethylamino)butanoate (CID 115353202) is methyl 2-(oxan-3-ylmethylamino)butanoate.
What is the SMILES notation for methyl 2-(oxan-3-ylmethylamino)butanoate?
The canonical SMILES for methyl 2-(oxan-3-ylmethylamino)butanoate is CCC(NCC1CCCOC1)C(=O)OC.
What is the InChIKey of methyl 2-(oxan-3-ylmethylamino)butanoate?
The InChIKey is NYTAWGKDADKVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-10(11(13)14-2)12-7-9-5-4-6-15-8-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 2-(oxan-3-ylmethylamino)butanoate?
methyl 2-(oxan-3-ylmethylamino)butanoate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-3-ylmethylamino)butanoate is sourced from PubChem (CID 115353202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).